Organic acids and derivatives
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CAS: 67-42-5 Molecular Formula: C14H24N2O10 Molecular Weight (g/mol): 380.35 InChI Key: DEFVIWRASFVYLL-UHFFFAOYSA-N Synonym: egta,egtazic acid,gedta,ethylenebis oxyethylenenitrilo tetraacetic acid,ebonta,6,9-dioxa-3,12-diazatetradecanedioic acid, 3,12-bis carboxymethyl,1,2-bis 2-bis carboxymethyl amino ethoxy ethane,ethylene glycol tetraacetic acid,h4egta,egtazic acid usan:inn PubChem CID: 6207 ChEBI: CHEBI:30740 IUPAC Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid SMILES: C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
| PubChem CID | 6207 |
|---|---|
| CAS | 67-42-5 |
| Molecular Weight (g/mol) | 380.35 |
| ChEBI | CHEBI:30740 |
| SMILES | C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O |
| Synonym | egta,egtazic acid,gedta,ethylenebis oxyethylenenitrilo tetraacetic acid,ebonta,6,9-dioxa-3,12-diazatetradecanedioic acid, 3,12-bis carboxymethyl,1,2-bis 2-bis carboxymethyl amino ethoxy ethane,ethylene glycol tetraacetic acid,h4egta,egtazic acid usan:inn |
| IUPAC Name | 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid |
| InChI Key | DEFVIWRASFVYLL-UHFFFAOYSA-N |
| Molecular Formula | C14H24N2O10 |
2-Acrylamido-2-methylpropanesulfonic acid, 97%
CAS: 15214-89-8 Molecular Formula: C7H13NO4S Molecular Weight (g/mol): 207.24 MDL Number: MFCD00007522 InChI Key: XHZPRMZZQOIPDS-UHFFFAOYSA-N Synonym: 2-acrylamido-2-methylpropanesulfonic acid,2-acrylamido-2-methyl-1-propanesulfonic acid,2-acrylamide-2-methylpropanesulfonic acid,1-propanesulfonic acid, 2-methyl-2-1-oxo-2-propenyl amino,polyacrylamidomethylpropane sulfonic acid,unii-490hqe5ki5,2-acrylamido-2-methylpropanesulfonate,2-acrylamido-2-methylpropanesulphonic acid,2-acrylamido-2-methylpropane sulfonic acid,2-acrylamido-2-methylpropane-1-sulfonic acid PubChem CID: 65360 IUPAC Name: 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid SMILES: CC(C)(CS(O)(=O)=O)NC(=O)C=C
| PubChem CID | 65360 |
|---|---|
| CAS | 15214-89-8 |
| Molecular Weight (g/mol) | 207.24 |
| MDL Number | MFCD00007522 |
| SMILES | CC(C)(CS(O)(=O)=O)NC(=O)C=C |
| Synonym | 2-acrylamido-2-methylpropanesulfonic acid,2-acrylamido-2-methyl-1-propanesulfonic acid,2-acrylamide-2-methylpropanesulfonic acid,1-propanesulfonic acid, 2-methyl-2-1-oxo-2-propenyl amino,polyacrylamidomethylpropane sulfonic acid,unii-490hqe5ki5,2-acrylamido-2-methylpropanesulfonate,2-acrylamido-2-methylpropanesulphonic acid,2-acrylamido-2-methylpropane sulfonic acid,2-acrylamido-2-methylpropane-1-sulfonic acid |
| IUPAC Name | 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid |
| InChI Key | XHZPRMZZQOIPDS-UHFFFAOYSA-N |
| Molecular Formula | C7H13NO4S |
Calcium Formate, 98%, Pure
CAS: 544-17-2 Molecular Formula: C2H2CaO4 Molecular Weight (g/mol): 130.11 MDL Number: MFCD00036108 InChI Key: CBOCVOKPQGJKKJ-UHFFFAOYSA-L Synonym: calcium formate,calcium diformate,formic acid, calcium salt,calcoform,unii-np3jd65npy,mravencan vapenaty czech,calcium formate ca hco2 2,formic acid calcium salt,np3jd65npy,formic acid, calcium salt 2:1 PubChem CID: 10997 ChEBI: CHEBI:81851 IUPAC Name: calcium;diformate SMILES: C(=O)[O-].C(=O)[O-].[Ca+2]
| PubChem CID | 10997 |
|---|---|
| CAS | 544-17-2 |
| Molecular Weight (g/mol) | 130.11 |
| ChEBI | CHEBI:81851 |
| MDL Number | MFCD00036108 |
| SMILES | C(=O)[O-].C(=O)[O-].[Ca+2] |
| Synonym | calcium formate,calcium diformate,formic acid, calcium salt,calcoform,unii-np3jd65npy,mravencan vapenaty czech,calcium formate ca hco2 2,formic acid calcium salt,np3jd65npy,formic acid, calcium salt 2:1 |
| IUPAC Name | calcium;diformate |
| InChI Key | CBOCVOKPQGJKKJ-UHFFFAOYSA-L |
| Molecular Formula | C2H2CaO4 |
Ethyl benzimidate hydrochloride, 97%
CAS: 5333-86-8 Molecular Formula: C9H12ClNO Molecular Weight (g/mol): 185.65 MDL Number: MFCD00043246 InChI Key: MODZVIMSNXSQIH-UHFFFAOYSA-N Synonym: ethyl benzimidate hydrochloride,benzenecarboximidic acid, ethyl ester, hydrochloride,ethyl benzenecarboximidate hydrochloride,benzimidic acid ethyl ester hcl,ethylbenzimidate hydrochloride,ethyl benzimidate hcl,ethyl benzylimidate hydrochloride,ethyl iminobenzoate hydrochloride,benzimido ethyl ether hydrochloride,benzimidoyl ethyl ether hydrochloride PubChem CID: 79249 IUPAC Name: ethyl benzenecarboximidate;hydrochloride SMILES: [H+].[Cl-].CCOC(=N)C1=CC=CC=C1
| PubChem CID | 79249 |
|---|---|
| CAS | 5333-86-8 |
| Molecular Weight (g/mol) | 185.65 |
| MDL Number | MFCD00043246 |
| SMILES | [H+].[Cl-].CCOC(=N)C1=CC=CC=C1 |
| Synonym | ethyl benzimidate hydrochloride,benzenecarboximidic acid, ethyl ester, hydrochloride,ethyl benzenecarboximidate hydrochloride,benzimidic acid ethyl ester hcl,ethylbenzimidate hydrochloride,ethyl benzimidate hcl,ethyl benzylimidate hydrochloride,ethyl iminobenzoate hydrochloride,benzimido ethyl ether hydrochloride,benzimidoyl ethyl ether hydrochloride |
| IUPAC Name | ethyl benzenecarboximidate;hydrochloride |
| InChI Key | MODZVIMSNXSQIH-UHFFFAOYSA-N |
| Molecular Formula | C9H12ClNO |
tert-Butyl 2-bromobutyrate, 98%
CAS: 24457-21-4 Molecular Formula: C8H15BrO2 Molecular Weight (g/mol): 223.11 MDL Number: MFCD00209634 InChI Key: RIUJWUWLGXBICR-UHFFFAOYSA-N Synonym: tert-butyl 2-bromobutyrate,tert-butyl2-bromobutanoate,t-butyl 2-bromobutyrate,2-bromobutyric acid tert-butyl ester,2-bromobutanoic acid tert-butyl ester,butanoic acid, 2-bromo-, 1,1-dimethylethyl ester,tertbutyl 2-bromobutyrate,tert-butyl-2-bromobutyrat,acmc-1cb0d,tert-butyl-2-bromobutyrate PubChem CID: 13124118 IUPAC Name: tert-butyl 2-bromobutanoate SMILES: CCC(C(=O)OC(C)(C)C)Br
| PubChem CID | 13124118 |
|---|---|
| CAS | 24457-21-4 |
| Molecular Weight (g/mol) | 223.11 |
| MDL Number | MFCD00209634 |
| SMILES | CCC(C(=O)OC(C)(C)C)Br |
| Synonym | tert-butyl 2-bromobutyrate,tert-butyl2-bromobutanoate,t-butyl 2-bromobutyrate,2-bromobutyric acid tert-butyl ester,2-bromobutanoic acid tert-butyl ester,butanoic acid, 2-bromo-, 1,1-dimethylethyl ester,tertbutyl 2-bromobutyrate,tert-butyl-2-bromobutyrat,acmc-1cb0d,tert-butyl-2-bromobutyrate |
| IUPAC Name | tert-butyl 2-bromobutanoate |
| InChI Key | RIUJWUWLGXBICR-UHFFFAOYSA-N |
| Molecular Formula | C8H15BrO2 |
Dimethyl Methylphosphonate, Spectrum™ Chemical
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N-Nitroso-N-methylurea, Spectrum™ Chemical
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CAS: 684-93-5
| CAS | 684-93-5 |
|---|
N,N-Diisopropylformamide, 98%
CAS: 2700-30-3 Molecular Formula: C7H15NO Molecular Weight (g/mol): 129.203 MDL Number: MFCD00008867 InChI Key: UNBDDZDKBWPHAX-UHFFFAOYSA-N Synonym: n,n-diisopropylformamide,formamide, n,n-bis 1-methylethyl,n-formyldiisopropylamine,diisopropylformamide,n,n-bis 1-methylethyl formamide,nn-di-iso-propylformamide,formamide, n,n-diisopropyl,formamide, bis 1-methylethyl,n,n-bis methylethyl carboxamide,1y1&nvhy1&1 PubChem CID: 75912 IUPAC Name: N,N-di(propan-2-yl)formamide SMILES: CC(C)N(C=O)C(C)C
| PubChem CID | 75912 |
|---|---|
| CAS | 2700-30-3 |
| Molecular Weight (g/mol) | 129.203 |
| MDL Number | MFCD00008867 |
| SMILES | CC(C)N(C=O)C(C)C |
| Synonym | n,n-diisopropylformamide,formamide, n,n-bis 1-methylethyl,n-formyldiisopropylamine,diisopropylformamide,n,n-bis 1-methylethyl formamide,nn-di-iso-propylformamide,formamide, n,n-diisopropyl,formamide, bis 1-methylethyl,n,n-bis methylethyl carboxamide,1y1&nvhy1&1 |
| IUPAC Name | N,N-di(propan-2-yl)formamide |
| InChI Key | UNBDDZDKBWPHAX-UHFFFAOYSA-N |
| Molecular Formula | C7H15NO |
2-(Ethylthio)nicotinamide, 97%, Thermo Scientific™
CAS: 175135-27-0 Molecular Formula: C8H10N2OS Molecular Weight (g/mol): 182.241 MDL Number: MFCD00052903 InChI Key: YSSWIQWINOZESS-UHFFFAOYSA-N Synonym: 2-ethylthio nicotinamide,3-pyridinecarboxamide,2-ethylthio,2-ethylsulfanyl pyridine-3-carboxamide,maybridge1_001319,2-ethylthiopyridine-3-carboxamide PubChem CID: 2774536 IUPAC Name: 2-ethylsulfanylpyridine-3-carboxamide SMILES: CCSC1=C(C=CC=N1)C(=O)N
| PubChem CID | 2774536 |
|---|---|
| CAS | 175135-27-0 |
| Molecular Weight (g/mol) | 182.241 |
| MDL Number | MFCD00052903 |
| SMILES | CCSC1=C(C=CC=N1)C(=O)N |
| Synonym | 2-ethylthio nicotinamide,3-pyridinecarboxamide,2-ethylthio,2-ethylsulfanyl pyridine-3-carboxamide,maybridge1_001319,2-ethylthiopyridine-3-carboxamide |
| IUPAC Name | 2-ethylsulfanylpyridine-3-carboxamide |
| InChI Key | YSSWIQWINOZESS-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2OS |
2-Methylvaleric acid, 98+%
CAS: 97-61-0 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00002671 InChI Key: OVBFMEVBMNZIBR-UHFFFAOYSA-N Synonym: 2-methylvaleric acid,pentanoic acid, 2-methyl,valeric acid, 2-methyl,methylpropylacetic acid,2-pentanecarboxylic acid,2-methyl valeric acid,alpha-methylvaleric acid,pentanoic acid, methyl,kyselina 2-methylvalerova,fema no. 2754 PubChem CID: 7341 IUPAC Name: 2-methylpentanoic acid SMILES: CCCC(C)C(=O)O
| PubChem CID | 7341 |
|---|---|
| CAS | 97-61-0 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00002671 |
| SMILES | CCCC(C)C(=O)O |
| Synonym | 2-methylvaleric acid,pentanoic acid, 2-methyl,valeric acid, 2-methyl,methylpropylacetic acid,2-pentanecarboxylic acid,2-methyl valeric acid,alpha-methylvaleric acid,pentanoic acid, methyl,kyselina 2-methylvalerova,fema no. 2754 |
| IUPAC Name | 2-methylpentanoic acid |
| InChI Key | OVBFMEVBMNZIBR-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Ethyl 3-trifluoromethyl-1H-pyrazole-4-carboxylate, 97%
CAS: 155377-19-8 Molecular Formula: C7H7F3N2O2 Molecular Weight (g/mol): 208.14 MDL Number: MFCD00052083 InChI Key: VYXIHSAEOXPAEY-UHFFFAOYSA-N Synonym: ethyl 3-trifluoromethyl pyrazole-4-carboxylate,ethyl 3-trifluoromethyl-1h-pyrazole-4-carboxylate,ethyl 5-trifluoromethyl-1h-pyrazole-4-carboxylate,3-trifluoromethyl-1h-pyrazole-4-carboxylic acid ethyl ester,3-trifluoromethyl pyrazole-4-carboxylic acid ethyl ester,ethyl 3-trifluoromethyl-2h-pyrazole-4-carboxylate,5-trifluoromethyl-1h-pyrazole-4-carboxylic acid ethyl ester,1h-pyrazole-4-carboxylic acid, 3-trifluoromethyl-, ethyl ester PubChem CID: 596095 IUPAC Name: ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate SMILES: CCOC(=O)C1=C(NN=C1)C(F)(F)F
| PubChem CID | 596095 |
|---|---|
| CAS | 155377-19-8 |
| Molecular Weight (g/mol) | 208.14 |
| MDL Number | MFCD00052083 |
| SMILES | CCOC(=O)C1=C(NN=C1)C(F)(F)F |
| Synonym | ethyl 3-trifluoromethyl pyrazole-4-carboxylate,ethyl 3-trifluoromethyl-1h-pyrazole-4-carboxylate,ethyl 5-trifluoromethyl-1h-pyrazole-4-carboxylate,3-trifluoromethyl-1h-pyrazole-4-carboxylic acid ethyl ester,3-trifluoromethyl pyrazole-4-carboxylic acid ethyl ester,ethyl 3-trifluoromethyl-2h-pyrazole-4-carboxylate,5-trifluoromethyl-1h-pyrazole-4-carboxylic acid ethyl ester,1h-pyrazole-4-carboxylic acid, 3-trifluoromethyl-, ethyl ester |
| IUPAC Name | ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate |
| InChI Key | VYXIHSAEOXPAEY-UHFFFAOYSA-N |
| Molecular Formula | C7H7F3N2O2 |
Methyl cinnamate, predominantly trans, 99%
CAS: 103-26-4 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD00008458 InChI Key: CCRCUPLGCSFEDV-BQYQJAHWSA-N Synonym: methyl cinnamate,methyl trans-cinnamate,methyl e-cinnamate,cinnamic acid methyl ester,methyl cinnamylate,methyl 3-phenylacrylate,methyl e-3-phenylprop-2-enoate,methyl 3-phenylpropenoate,trans-cinnamic acid methyl ester,trans-methyl cinnamate PubChem CID: 637520 ChEBI: CHEBI:6857 IUPAC Name: methyl (E)-3-phenylprop-2-enoate SMILES: COC(=O)C=CC1=CC=CC=C1
| PubChem CID | 637520 |
|---|---|
| CAS | 103-26-4 |
| Molecular Weight (g/mol) | 162.188 |
| ChEBI | CHEBI:6857 |
| MDL Number | MFCD00008458 |
| SMILES | COC(=O)C=CC1=CC=CC=C1 |
| Synonym | methyl cinnamate,methyl trans-cinnamate,methyl e-cinnamate,cinnamic acid methyl ester,methyl cinnamylate,methyl 3-phenylacrylate,methyl e-3-phenylprop-2-enoate,methyl 3-phenylpropenoate,trans-cinnamic acid methyl ester,trans-methyl cinnamate |
| IUPAC Name | methyl (E)-3-phenylprop-2-enoate |
| InChI Key | CCRCUPLGCSFEDV-BQYQJAHWSA-N |
| Molecular Formula | C10H10O2 |
Methyl 2,2-dimethylacetoacetate, 99%
CAS: 38923-57-8 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00026232 InChI Key: LVSDLZIEHYYLTC-UHFFFAOYSA-N Synonym: methyl 2,2-dimethylacetoacetate,methyl2,2-dimethylacetoacetate,butanoic acid, 2,2-dimethyl-3-oxo-, methyl ester,methyl 2,2-dimethyl acetoacetate,2,2-dimethylacetoacetic acid methyl ester,2,2-dimethyl-3-oxo-butyric acid methyl ester,2,2-dimethyl-3-oxobutyric acid, methyl ester,methyl 2,2-dimethyl-3-oxobutyrate,pubchem23356,acmc-20akj7 PubChem CID: 96925 IUPAC Name: methyl 2,2-dimethyl-3-oxobutanoate SMILES: COC(=O)C(C)(C)C(C)=O
| PubChem CID | 96925 |
|---|---|
| CAS | 38923-57-8 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00026232 |
| SMILES | COC(=O)C(C)(C)C(C)=O |
| Synonym | methyl 2,2-dimethylacetoacetate,methyl2,2-dimethylacetoacetate,butanoic acid, 2,2-dimethyl-3-oxo-, methyl ester,methyl 2,2-dimethyl acetoacetate,2,2-dimethylacetoacetic acid methyl ester,2,2-dimethyl-3-oxo-butyric acid methyl ester,2,2-dimethyl-3-oxobutyric acid, methyl ester,methyl 2,2-dimethyl-3-oxobutyrate,pubchem23356,acmc-20akj7 |
| IUPAC Name | methyl 2,2-dimethyl-3-oxobutanoate |
| InChI Key | LVSDLZIEHYYLTC-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
2-(Propylthio)pyridine-3-carbonyl chloride, 97%, Thermo Scientific™
CAS: 175135-24-7 Molecular Formula: C9H10ClNOS Molecular Weight (g/mol): 215.70 MDL Number: MFCD00052656 InChI Key: FTEUTJYYROCUBI-UHFFFAOYSA-N Synonym: 2-propylthio pyridine-3-carbonyl chloride,2-propylsulfanyl pyridine-3-carbonyl chloride,2-propylthio nicotinoyl chloride,2-propylthiopyridine-3-carbonyl chloride,3-pyridinecarbonylchloride, 2-propylthio,2-propylthio pyridine-3-carbonylchloride PubChem CID: 2774530 IUPAC Name: 2-propylsulfanylpyridine-3-carbonyl chloride SMILES: CCCSC1=C(C=CC=N1)C(Cl)=O
| PubChem CID | 2774530 |
|---|---|
| CAS | 175135-24-7 |
| Molecular Weight (g/mol) | 215.70 |
| MDL Number | MFCD00052656 |
| SMILES | CCCSC1=C(C=CC=N1)C(Cl)=O |
| Synonym | 2-propylthio pyridine-3-carbonyl chloride,2-propylsulfanyl pyridine-3-carbonyl chloride,2-propylthio nicotinoyl chloride,2-propylthiopyridine-3-carbonyl chloride,3-pyridinecarbonylchloride, 2-propylthio,2-propylthio pyridine-3-carbonylchloride |
| IUPAC Name | 2-propylsulfanylpyridine-3-carbonyl chloride |
| InChI Key | FTEUTJYYROCUBI-UHFFFAOYSA-N |
| Molecular Formula | C9H10ClNOS |